Metabolite Profiling and Identification

When drugs enter the body and act upon the organism to induce a variety of physiological and pharmacological effects, the organism is also eliminating the foreign compounds via metabolic and excretory processes to safeguard itself against damaging effects. Drug metabolism drives these eliminations – the process of turning lipid-soluble drug molecules into more water-soluble metabolites by enzymatic processes within the body, which can be easily excreted in bile or urine. Such metabolic processes include oxidation, reduction, hydrolysis (collectively known as phase I metabolism, which primarily increases the polarity of the molecule) and binding reactions (phase II metabolism, which further increases polarity). The liver is the major metabolic organ because it is rich in various enzymes for both phase I and phase II, followed by the intestines, blood, kidneys, lungs, and brain.

Metabolite Identification (MetID) studies are conducted throughout the drug development pipeline and offer a scientific foundation for improving drug effectiveness and safety. Creative Bioarray offers qualitative and quantitative metabolite analysis via high performance liquid chromatography and high-resolution mass spectrometry (HPLC/HRMS) technologies that will support the drug development process with quality data.

During lead compound screening, metabolite identification targets lead compounds with low bioactivation potential and low risk of drug-drug interactions, identifies metabolically labile active sites, and guides structural optimization of lead compounds.
In the process of preclinical study, analyzing the metabolite spectrum among different species in vitro guides the selection of animal species for preclinical safety evaluations, ensuring the reliability of in vitro metabolic predictions for human in vivo metabolism.
In the process of clinical research, analysis of metabolites in human plasma, urine, and feces provides information about the main circulating metabolites and the pathways for drug elimination in the body. During multiple administered dose-escalation studies, MetID can monitor metabolite levels and exposure in the human circulation system at steady state.

Creative Bioarray's Metabolite Profiling and Identification

In Vivo metabolite profiling and identification:
Species	Rodents (mice, rats, guinea pigs); non-rodent species (dogs, mini-pigs, non-human primates), etc.
Sample Collection	Blood, plasma, serum, urine, feces, bile, tissues or organs, etc.
Brief protocol	Select an appropriate animal (species) Prepare the test compound Test compound administration (PO, IV, IP, SC, IM, etc.) Biosamples collection and processing. MS analysis to obtain accurate molecular weight and fragment information. Metabolite analysis and interpretation/identification
Technical Platform	Liquid chromatography-high resolution mass spectrometry (LC-HRMS), quadrupole-time-of-flight mass spectrometry (Q-TOF MS), Orbitrap MS, Nuclear magnetic resonance (NMR), etc.
Deliverables	LC-MS chromatograms of parent compounds and metabolites, low-energy and high-energy MS spectra, metabolite structure elucidation and detailed reports.
In Vitro metabolite profiling and identification:
Matrices	Plasma, intestinal microsomes, liver microsomes, liver s9 fractions, hepatocytes
Species	Human, monkey, dog, rat, mouse
Test Article Concentration	1 test concentration (usually 10 µM)
Incubation Period	1 incubation time (usually 60 min for microsomes and 120 min for plasma, S9, or hepatocytes)
Analysis Method	LC-UV-MS/MS
Deliverables	Report main metabolites with or without metabolic pathway analysis.

In addition, we offer the following compound metabolism analysis services:

Reactive Metabolite Identification by Trapping GSH (high resolution MS)

Reactive Metabolite Identification by Trapping Cyanide (high resolution MS)

Reactive Metabolite Identification by Trapping Methoxylamine (high resolution MS)

Reactivity Assessment of Acyl Glucuronides (Acyl- migration)

Reactivity Assessment of Acyl Glucuronides (Half-life)

Key Features

High-throughput metabolite analysis technology: Employing advanced mass spectrometry and chromatography techniques, capable of simultaneously detecting thousands of metabolites for rapid and accurate analysis.
Automated data analysis: Equipped with advanced bioinformatics software and automated data analysis tools to process and analyze large volumes of metabolic data, reducing human error and ensuring data reliability.
Multiple detection types: Capable of studying metabolites across various biological matrices (such as blood, urine, feces, and tissue) supporting the identification of metabolites for test compounds of various structures and chemical properties.
Customized detection solutions: Offering highly customized service plans that are flexibly adjusted according to specific metabolite identification needs and experimental designs.

Advantages

Internationally advanced analytical technology and equipment
An experienced team of experts
In-depth mining of metabolic data
Comprehensive service offerings
A complete quality control system

FAQ

1: What should be considered when conducting metabolite detection tests?

The metabolite detection test requires attention to where the sample is coming from and how it is stored to prevent the samples from degrading or being contaminated which may affect the accuracy of the test. Having well-established procedures that must be routinely observed is vital to the reproducibility and credibility of experiments. Additionally, it is essential to choose the right analysis procedures and equipment depending on the samples and research objectives. Additionally, if the data analysis has to be done, automated data analysis tools must be used to increase processing speed and deliver accurate and complete data. Finally, for science to be understood fully, interpretation must consider pharmacodynamics, pharmacokinetics and toxicology.

2: What is the significance of knowing how compounds work in the metabolic process?

Knowing a compound's metabolic pathways is crucial because it tells us the important facts about how the compound is absorbed, released, metabolized and eliminated in the body. This information determines how the compound will act pharmacologically and potentially toxically, what its active or potentially toxic metabolites are, and how to optimize the chemical structure of the compound for optimal effectiveness and safety. In addition, understanding metabolism can guide dosing and preventing unwanted drug-drug interactions, thus promoting safer and better drug development and use.

3: What is the advantage of LC-HRMS in detecting metabolites?

The LC-HRMS is extremely sensitive and selective. By utilizing ultra-performance liquid chromatography (UPLC) instead of HPLC, the signal-to-noise ratio can be substantially improved. This is principally due to UPLC's ability to efficiently decrease peak width (increasing the amount of analytes being introduced into the mass spectrometer) and decrease ion suppression (through its successful separation of metabolites from the biological matrix).

Quotation and Ordering

For more detailed information, please feel free to contact us or directly sent us an inquiry. We look forward to cooperating with you in the future.

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